2-[4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyrazol-1-yl]acetic acid

C20H17N5O3 — CID 148592362

IUPAC2-[4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(-c2cccc(COc3ccc(-c4ccn[nH]4)nc3)c2)cn1
InChIInChI=1S/C20H17N5O3/c26-20(27)12-25-11-16(9-23-25)15-3-1-2-14(8-15)13-28-17-4-5-18(21-10-17)19-6-7-22-24-19/h1-11H,12-13H2,(H,22,24)(H,26,27)
InChIKeyNAWVSFJBYMEPSG-UHFFFAOYSA-N
MW375.39 g/mol
LogP3.00
Rot. Bonds7

About 2-[4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyrazol-1-yl]acetic acid

2-[4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyrazol-1-yl]acetic acid (PubChem CID 148592362) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 2-[4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyrazol-1-yl]acetic acid
PubChem CID148592362
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name2-[4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(-c2cccc(COc3ccc(-c4ccn[nH]4)nc3)c2)cn1
InChIInChI=1S/C20H17N5O3/c26-20(27)12-25-11-16(9-23-25)15-3-1-2-14(8-15)13-28-17-4-5-18(21-10-17)19-6-7-22-24-19/h1-11H,12-13H2,(H,22,24)(H,26,27)
InChIKeyNAWVSFJBYMEPSG-UHFFFAOYSA-N
XLogP3.00
TPSA105.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyrazol-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyrazol-1-yl]acetic acid (CID 148592362) is 2-[4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(-c2cccc(COc3ccc(-c4ccn[nH]4)nc3)c2)cn1.
What is the InChIKey of 2-[4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyrazol-1-yl]acetic acid?
The InChIKey is NAWVSFJBYMEPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c26-20(27)12-25-11-16(9-23-25)15-3-1-2-14(8-15)13-28-17-4-5-18(21-10-17)19-6-7-22-24-19/h1-11H,12-13H2,(H,22,24)(H,26,27).
What are the key properties of 2-[4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyrazol-1-yl]acetic acid?
2-[4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyrazol-1-yl]acetic acid has a molecular weight of 375.39 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 148592362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).